N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide

C14H18N2O3S — CID 64766938

IUPACN-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2CC=CC2)cc1
InChIInChI=1S/C14H18N2O3S/c15-20(18,19)13-7-5-11(6-8-13)9-10-16-14(17)12-3-1-2-4-12/h1-2,5-8,12H,3-4,9-10H2,(H,16,17)(H2,15,18,19)
InChIKeyVYJITPVARPFIEW-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.96
Rot. Bonds5

About N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide

N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide (PubChem CID 64766938) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide
PubChem CID64766938
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2CC=CC2)cc1
InChIInChI=1S/C14H18N2O3S/c15-20(18,19)13-7-5-11(6-8-13)9-10-16-14(17)12-3-1-2-4-12/h1-2,5-8,12H,3-4,9-10H2,(H,16,17)(H2,15,18,19)
InChIKeyVYJITPVARPFIEW-UHFFFAOYSA-N
XLogP0.96
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125435841
N-[3-(4-sulfamoylphenyl)propyl]cyclobutanecarboxamide
CID 60905854
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide
CID 81425700
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2078489
1-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
CID 22552986
N-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide
CID 64766677
trans-(1S,3S)-2,2-dimethyl-3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 95390266
(3R)-5-oxo-1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 9350652
N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110790600
1-(2-methylpropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 113182044
(2S)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 18778138
N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide (CID 64766938) is N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)C2CC=CC2)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is VYJITPVARPFIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c15-20(18,19)13-7-5-11(6-8-13)9-10-16-14(17)12-3-1-2-4-12/h1-2,5-8,12H,3-4,9-10H2,(H,16,17)(H2,15,18,19).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide?
N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 64766938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).